ethyl 5-methyl-4-(oxolan-2-ylmethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(oxolan-2-ylmethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(tetrahydrofuran-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-oxolanylmethylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(oxolan-2-ylmethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-(tetrahydrofurfurylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4CCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4CCCO4)C

InChI

InChI=1S/C22H25N3O3S2/c1-3-27-22(26)19-14(2)18-20(23-12-15-8-7-11-28-15)24-17(25-21(18)30-19)13-29-16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H,23,24,25)